N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

C20H22N6O — CID 56712418

About N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (PubChem CID 56712418) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

Molecular Properties

• Compound Name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
• PubChem CID: 56712418
• Molecular Formula: C20H22N6O
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.19
• IUPAC Name: N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
• SMILES: CCc1nnc(CN(CC)Cc2cnc3c(-c4ccccc4)cnn3c2)o1
• InChI: InChI=1S/C20H22N6O/c1-3-18-23-24-19(27-18)14-25(4-2)12-15-10-21-20-17(11-22-26(20)13-15)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3
• InChIKey: GQYMDMIVBZPHGL-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 72.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?

The IUPAC name of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (CID 56712418) is N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

What is the SMILES notation for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?

The canonical SMILES for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is CCc1nnc(CN(CC)Cc2cnc3c(-c4ccccc4)cnn3c2)o1.

What is the InChIKey of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?

The InChIKey is GQYMDMIVBZPHGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-3-18-23-24-19(27-18)14-25(4-2)12-15-10-21-20-17(11-22-26(20)13-15)16-8-6-5-7-9-16/h5-11,13H,3-4,12,14H2,1-2H3.

What are the key properties of N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?

N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine has a molecular weight of 362.44 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is sourced from PubChem (CID 56712418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).